5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine

C13H7BrClN3O — CID 55053450

IUPAC5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine
SMILESClc1nncc(Oc2ccc3ccccc3c2Br)n1
InChIInChI=1S/C13H7BrClN3O/c14-12-9-4-2-1-3-8(9)5-6-10(12)19-11-7-16-18-13(15)17-11/h1-7H
InChIKeyBBXIBKPKLBRDAM-UHFFFAOYSA-N
MW336.58 g/mol
LogP4.23
Rot. Bonds2

About 5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine

5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine (PubChem CID 55053450) has the molecular formula C13H7BrClN3O and a molecular weight of 336.58 g/mol. Its IUPAC name is 5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine.

Molecular Properties

Compound Name5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine
PubChem CID55053450
Molecular FormulaC13H7BrClN3O
Molecular Weight336.58 g/mol
Exact Mass334.95
IUPAC Name5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine
SMILESClc1nncc(Oc2ccc3ccccc3c2Br)n1
InChIInChI=1S/C13H7BrClN3O/c14-12-9-4-2-1-3-8(9)5-6-10(12)19-11-7-16-18-13(15)17-11/h1-7H
InChIKeyBBXIBKPKLBRDAM-UHFFFAOYSA-N
XLogP4.23
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.58
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine?
The IUPAC name of 5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine (CID 55053450) is 5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine.
What is the SMILES notation for 5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine?
The canonical SMILES for 5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine is Clc1nncc(Oc2ccc3ccccc3c2Br)n1.
What is the InChIKey of 5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine?
The InChIKey is BBXIBKPKLBRDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClN3O/c14-12-9-4-2-1-3-8(9)5-6-10(12)19-11-7-16-18-13(15)17-11/h1-7H.
What are the key properties of 5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine?
5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine has a molecular weight of 336.58 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromonaphthalen-2-yl)oxy-3-chloro-1,2,4-triazine is sourced from PubChem (CID 55053450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).